Fluazolate-d3

Base Information

• Chemical Name: Fluazolate-d3
• CAS No.: 1189932-72-6
• Molecular Formula: C15H12BrClF4N2O2
• Molecular Weight: 446.63
• DSSTox Substance ID: DTXSID00675898
• Wikidata: Q82598607
• Mol file: 1189932-72-6.mol

Synonyms:Fluazolate-d3;1189932-72-6;propan-2-yl 5-[4-bromo-1-(trideuteriomethyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate;DTXSID00675898;AKOS030243186;J-004025;Propan-2-yl 5-[4-bromo-1-(~2~H_3_)methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoate

Chemical Property of Fluazolate-d3

Chemical Property:

• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 444.98951
• Heavy Atom Count: 25
• Complexity: 497

Purity/Quality:

97% ^*data from raw suppliers

Fluazolate-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2Br)C(F)(F)F)C)F)Cl
• Isomeric SMILES: [2H]C([2H])([2H])N1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)OC(C)C)Br)C(F)(F)F
• Uses: A labelled active ingredient formulation to prepare agrochemicals and drugs in amorphous form.